N-[(3-bromo-4-cyclopentyloxy-5-ethoxyphenyl)methylideneamino]aniline

C20H23BrN2O2 — CID 169383453

IUPACN-[(3-bromo-4-cyclopentyloxy-5-ethoxyphenyl)methylideneamino]aniline
SMILESCCOc1cc(C=NNc2ccccc2)cc(Br)c1OC1CCCC1
InChIInChI=1S/C20H23BrN2O2/c1-2-24-19-13-15(14-22-23-16-8-4-3-5-9-16)12-18(21)20(19)25-17-10-6-7-11-17/h3-5,8-9,12-14,17,23H,2,6-7,10-11H2,1H3
InChIKeyVAGFRXMFIKBFLY-UHFFFAOYSA-N
MW403.32 g/mol
LogP5.62
Rot. Bonds7

About N-[(3-bromo-4-cyclopentyloxy-5-ethoxyphenyl)methylideneamino]aniline

N-[(3-bromo-4-cyclopentyloxy-5-ethoxyphenyl)methylideneamino]aniline (PubChem CID 169383453) has the molecular formula C20H23BrN2O2 and a molecular weight of 403.32 g/mol. Its IUPAC name is N-[(3-bromo-4-cyclopentyloxy-5-ethoxyphenyl)methylideneamino]aniline.

Molecular Properties

Compound NameN-[(3-bromo-4-cyclopentyloxy-5-ethoxyphenyl)methylideneamino]aniline
PubChem CID169383453
Molecular FormulaC20H23BrN2O2
Molecular Weight403.32 g/mol
Exact Mass402.09
IUPAC NameN-[(3-bromo-4-cyclopentyloxy-5-ethoxyphenyl)methylideneamino]aniline
SMILESCCOc1cc(C=NNc2ccccc2)cc(Br)c1OC1CCCC1
InChIInChI=1S/C20H23BrN2O2/c1-2-24-19-13-15(14-22-23-16-8-4-3-5-9-16)12-18(21)20(19)25-17-10-6-7-11-17/h3-5,8-9,12-14,17,23H,2,6-7,10-11H2,1H3
InChIKeyVAGFRXMFIKBFLY-UHFFFAOYSA-N
XLogP5.62
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.32
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(3-bromo-4-cyclopentyloxy-5-ethoxyphenyl)methylideneamino]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-bromo-6-ethoxy-4-[(phenylhydrazinylidene)methyl]phenyl] acetate
CID 169383230
ethyl 2-[2-bromo-6-ethoxy-4-[(phenylhydrazinylidene)methyl]phenoxy]acetate
CID 169383345
N-[(Z)-[3-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]aniline
CID 94851477
N-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]aniline
CID 132950633
4-[2-[(3-bromo-4,5-diethoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 110841167
N-[(3-bromo-4,5-diethoxyphenyl)methylideneamino]-4-(trifluoromethyl)aniline
CID 110841950
N-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-4-chloroaniline
CID 110506158
N-[(3-bromo-4,5-diethoxyphenyl)methylideneamino]-3,4-dichloroaniline
CID 110840568
methyl 2-[2-bromo-6-methoxy-4-[(phenylhydrazinylidene)methyl]phenoxy]acetate
CID 169383445
N-[(E)-(3-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]aniline
CID 110504886
3-bromo-4-cyclopentyloxy-5-ethoxybenzoic acid
CID 43627080
N'-[(3-bromo-4,5-diethoxyphenyl)methylideneamino]-N-phenylpropanediamide
CID 4017540

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-cyclopentyloxy-5-ethoxyphenyl)methylideneamino]aniline?
The IUPAC name of N-[(3-bromo-4-cyclopentyloxy-5-ethoxyphenyl)methylideneamino]aniline (CID 169383453) is N-[(3-bromo-4-cyclopentyloxy-5-ethoxyphenyl)methylideneamino]aniline.
What is the SMILES notation for N-[(3-bromo-4-cyclopentyloxy-5-ethoxyphenyl)methylideneamino]aniline?
The canonical SMILES for N-[(3-bromo-4-cyclopentyloxy-5-ethoxyphenyl)methylideneamino]aniline is CCOc1cc(C=NNc2ccccc2)cc(Br)c1OC1CCCC1.
What is the InChIKey of N-[(3-bromo-4-cyclopentyloxy-5-ethoxyphenyl)methylideneamino]aniline?
The InChIKey is VAGFRXMFIKBFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O2/c1-2-24-19-13-15(14-22-23-16-8-4-3-5-9-16)12-18(21)20(19)25-17-10-6-7-11-17/h3-5,8-9,12-14,17,23H,2,6-7,10-11H2,1H3.
What are the key properties of N-[(3-bromo-4-cyclopentyloxy-5-ethoxyphenyl)methylideneamino]aniline?
N-[(3-bromo-4-cyclopentyloxy-5-ethoxyphenyl)methylideneamino]aniline has a molecular weight of 403.32 g/mol, XLogP of 5.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-cyclopentyloxy-5-ethoxyphenyl)methylideneamino]aniline is sourced from PubChem (CID 169383453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).